(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one

C16H16O2 — CID 125480458

IUPAC(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
SMILESCC[C@H](C(=O)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-2-15(12-7-4-3-5-8-12)16(18)13-9-6-10-14(17)11-13/h3-11,15,17H,2H2,1H3/t15-/m0/s1
InChIKeyDBVAXCXHPISPKP-HNNXBMFYSA-N
MW240.30 g/mol
LogP3.77
Rot. Bonds4

About (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one

(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one (PubChem CID 125480458) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
PubChem CID125480458
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
SMILESCC[C@H](C(=O)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-2-15(12-7-4-3-5-8-12)16(18)13-9-6-10-14(17)11-13/h3-11,15,17H,2H2,1H3/t15-/m0/s1
InChIKeyDBVAXCXHPISPKP-HNNXBMFYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 56974178
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
1-(2,6-difluorophenyl)-2-phenylbutan-1-one
CID 114972889

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one?
The IUPAC name of (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one (CID 125480458) is (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one.
What is the SMILES notation for (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one?
The canonical SMILES for (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one is CC[C@H](C(=O)c1cccc(O)c1)c1ccccc1.
What is the InChIKey of (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one?
The InChIKey is DBVAXCXHPISPKP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-15(12-7-4-3-5-8-12)16(18)13-9-6-10-14(17)11-13/h3-11,15,17H,2H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one?
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 125480458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).